3,4-Diethynyl-3-hexene-1,5-diyne

Inquiry

Molecular Formula:

C10H4

Molecular Weight:

124.14

CAS Number:

133968-85-1

Catalog Number:

133968-85-1

Product Information

Molecular Formula:

C10H4

Molecular Weight:

124.14

Synonyms

3-Hexene-1,5-diyne, 3,4-diethynyl-; 3,4-diethynylhex-3-en-1,5-diyne; tetraethynylethene; 3,4-Diethynylhexa-3-en-1,5-diyne; 3,4-Diethynyl-3-hexene-1,5-diyne; (3,4-Diethynyl-1,5-hexadiyne-3,4-diyl)radical

IUPAC Name

3,4-diethynylhex-3-en-1,5-diyne

Canonical SMILES

C#CC(=C(C#C)C#C)C#C

InChI

InChI=1S/C10H4/c1-5-9(6-2)10(7-3)8-4/h1-4H

InChI Key

MEXXLIUXUQOIGI-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

124.0313001276

Monoisotopic Mass

124.0313001276

Topological Polar Surface Area

Heavy Atom Count

Formal Charge

Complexity

279

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Literatures

PMID	Publication Date	Title	Journal
19053585	2009-01-02	Synthesis and characterization of tetrathiafulvalene-substituted di- and tetraethynylethenes with p-nitrophenyl acceptors	The Journal of organic chemistry
16872161	2006-08-04	Enediyne isomers of tetraethynylethene	The Journal of organic chemistry
12877477	2003-07-21	Donor-substituted peralkynylated 'radiaannulenes': novel all-carbon macrocycles with an intense intramolecular charge-transfer	Chemical communications (Cambridge, England)
12112870	2002-01-01	The art of acetylenic scaffolding: rings, rods, and switches	Chemical record (New York, N.Y.)

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3,4-Diethynyl-3-hexene-1,5-diyne

Product Information

Computed Properties

Literatures

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